3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

C17H24N4O2 — CID 156604111

IUPAC3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCOCCN1C(=O)C2CCC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C17H24N4O2/c1-23-7-6-21-14-5-4-13(17(21)22)9-20(10-14)16-8-15(12-2-3-12)18-11-19-16/h8,11-14H,2-7,9-10H2,1H3
InChIKeyUKXGSPWJUASEHK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.43
Rot. Bonds5

About 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 156604111) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID156604111
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCOCCN1C(=O)C2CCC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C17H24N4O2/c1-23-7-6-21-14-5-4-13(17(21)22)9-20(10-14)16-8-15(12-2-3-12)18-11-19-16/h8,11-14H,2-7,9-10H2,1H3
InChIKeyUKXGSPWJUASEHK-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 156604111) is 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one is COCCN1C(=O)C2CCC1CN(c1cc(C3CC3)ncn1)C2.
What is the InChIKey of 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is UKXGSPWJUASEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-23-7-6-21-14-5-4-13(17(21)22)9-20(10-14)16-8-15(12-2-3-12)18-11-19-16/h8,11-14H,2-7,9-10H2,1H3.
What are the key properties of 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 316.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopropylpyrimidin-4-yl)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 156604111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).